NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
7689 1kvg cing 1-original 3 DISCOVER dihedral angle


#NMR_dihedral
! phi based on 3J(HN-HA)
1:SERN_1:C           1:CYS_2:N           1:CYS_2:CA          1:CYS_2:C           -160.0  -80.0  100.00 100.00 1000.0 
1:CYS_2:C           1:HIS_3:N           1:HIS_3:CA          1:HIS_3:C           -160.0   -80.0  100.00 100.00 1000.0 
1:HIS_3:C           1:PHE_4:N           1:PHE_4:CA          1:PHE_4:C           -170.0  -70.0  100.00 100.00 1000.0 
1:PRO_6:C           1:LEU_7:N           1:LEU_7:CA          1:LEU_7:C           -140.0  -100.0  100.00 100.00 1000.0 
1:LEU_7:C           1:GLY_8:N           1:GLY_8:CA          1:GLY_8:C              1.0   120.0  100.00 100.00 1000.0
1:GLY_8:C           1:TRP_9:N           1:TRP_9:CA          1:TRP_9:C           -110.0   -40.0  100.00 100.00 1000.0 
1:TRP_9:C           1:VAL_10:N          1:VAL_10:CA         1:VAL_10:C          -140.0  -100.0  100.00 100.00 1000.0 
1:VAL_10:C          1:CYS_11:N          1:CYS_11:CA         1:CYS_11:C          -140.0  -100.0  100.00 100.00 1000.0 
1:CYS_11:C          1:LYS_12:N          1:LYS_12:CA         1:LYS_12:C          -160.0   -80.0  100.00 100.00 1000.0 
!
! chi-1 based on 3J(HA-HB)
1:CYS_2:N           1:CYS_2:CA          1:CYS_2:CB          1:CYS_2:SG         -90.0   -30.0   100.00 100.00 1000.0
1:LEU_7:N           1:LEU_7:CA          1:LEU_7:CB          1:LEU_7:CG         -90.0   -30.0   100.00 100.00 1000.0
1:CYS_11:N          1:CYS_11:CA         1:CYS_11:CB         1:CYS_11:SG        -90.0   -30.0   100.00 100.00 1000.0
1:PHE_4:N           1:PHE_4:CA          1:PHE_4:CB          1:PHE_4:CG         150.0   -30.0   100.00 100.00 1000.0
!
! peptide bond planarity
1:SERN_1:CA          1:SERN_1:C           1:CYS_2:N           1:CYS_2:CA          170.0  -170.0  100.00 100.00 1000.0 
1:SERN_1:O           1:SERN_1:C           1:CYS_2:N           1:CYS_2:HN          170.0  -170.0  100.00 100.00 1000.0 
1:CYS_2:CA          1:CYS_2:C           1:HIS_3:N           1:HIS_3:CA          170.0  -170.0  100.00 100.00 1000.0 
1:CYS_2:O           1:CYS_2:C           1:HIS_3:N           1:HIS_3:HN          170.0  -170.0  100.00 100.00 1000.0 
1:HIS_3:CA          1:HIS_3:C           1:PHE_4:N           1:PHE_4:CA          170.0  -170.0  100.00 100.00 1000.0 
1:HIS_3:O           1:HIS_3:C           1:PHE_4:N           1:PHE_4:HN          170.0  -170.0  100.00 100.00 1000.0 
1:PHE_4:CA          1:PHE_4:C           1:GLY_5:N           1:GLY_5:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PHE_4:O           1:PHE_4:C           1:GLY_5:N           1:GLY_5:HN          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_5:CA          1:GLY_5:C           1:PRO_6:N           1:PRO_6:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PRO_6:CA          1:PRO_6:C           1:LEU_7:N           1:LEU_7:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PRO_6:O           1:PRO_6:C           1:LEU_7:N           1:LEU_7:HN          170.0  -170.0  100.00 100.00 1000.0 
1:LEU_7:CA          1:LEU_7:C           1:GLY_8:N           1:GLY_8:CA          170.0  -170.0  100.00 100.00 1000.0 
1:LEU_7:O           1:LEU_7:C           1:GLY_8:N           1:GLY_8:HN          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_8:CA          1:GLY_8:C           1:TRP_9:N           1:TRP_9:CA          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_8:O           1:GLY_8:C           1:TRP_9:N           1:TRP_9:HN          170.0  -170.0  100.00 100.00 1000.0 
1:TRP_9:CA          1:TRP_9:C           1:VAL_10:N          1:VAL_10:CA         170.0  -170.0  100.00 100.00 1000.0 
1:TRP_9:O           1:TRP_9:C           1:VAL_10:N          1:VAL_10:HN         170.0  -170.0  100.00 100.00 1000.0 
1:VAL_10:CA         1:VAL_10:C          1:CYS_11:N          1:CYS_11:CA         170.0  -170.0  100.00 100.00 1000.0 
1:VAL_10:O          1:VAL_10:C          1:CYS_11:N          1:CYS_11:HN         170.0  -170.0  100.00 100.00 1000.0 
1:CYS_11:CA         1:CYS_11:C          1:LYS_12:N          1:LYS_12:CA         170.0  -170.0  100.00 100.00 1000.0 
1:CYS_11:O          1:CYS_11:C          1:LYS_12:N          1:LYS_12:HN         170.0  -170.0  100.00 100.00 1000.0 



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